In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 37 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.88 | 9.84 | -52.99 | 0 | 8 | -1 | 103 | 499.543 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.42 | 12.27 | -16.12 | 1 | 8 | 0 | 100 | 500.551 | 9 | ↓ |